ABINIT/m_pawang [ Modules ]

This module contains the definition of the pawang_type structured datatype,
as well as related functions and methods.
pawang_type variables define ANGular mesh discretization of PAW augmentation
regions and related data.

m_pawang/initang [ Functions ]

pawang <type(pawang_type)>=paw angular mesh and related data
pawang%angl_size - Total number of sample points in the angular mesh
pawang%ntheta - Number of sample points in the theta dir
pawang%nphi - Number of sample points in the phi dir

m_pawang/pawang_init [ Functions ]

gnt_option=flag activated if pawang%gntselect and pawang%realgnt have to be allocated
also determine the size of these pointers
lmax=maximum value of angular momentum l
nphi,ntheta=dimensions of paw angular mesh
nsym=number of symetries
pawxcdev=choice of XC development (0=no dev. (use of angular mesh) ; 1 or 2=dev. on moments)
use_ls_ylm=flag activated if pawang%ls_ylm has to be allocated
use_ylm=flag activated if pawang%ylmr and pawang%ylmrgr have to be allocated
xclevel=XC functional level (1=LDA, 2=GGA)